5-[(5-methyl-3-nitro-pyrazol-1-yl)methyl]-N-[1-(phenylmethyl)pyrazol-3-yl]-1,3,4-thiadiazol-2-amine

Systemtic Name: 5-[(5-methyl-3-nitro-pyrazol-1-yl)methyl]-N-[1-(phenylmethyl)pyrazol-3-yl]-1,3,4-thiadiazol-2-amine Openeye Name: N-(1-benzylpyrazol-3-yl)-5-[(5-methyl-3-nitro-pyrazol-1-yl)methyl]-1,3,4-thiadiazol-2-amine CAS Name: 5-[(5-methyl-3-nitro-1-pyrazolyl)methyl]-N-[1-(phenylmethyl)-3-pyrazolyl]-1,3,4-thiadiazol-2-amine IUPAC Name: N-(1-benzylpyrazol-3-yl)-5-[(5-methyl-3-nitropyrazol-1-yl)methyl]-1,3,4-thiadiazol-2-amine Traditional Name: (1-benzylpyrazol-3-yl)-[5-[(5-methyl-3-nitro-pyrazol-1-yl)methyl]-1,3,4-thiadiazol-2-yl]amine Formula: C17H16N8O2S MolecularWeight: 396.42634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC2=NN=C(S2)NC3=NN(C=C3)CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NN1CC2=NN=C(S2)NC3=NN(C=C3)CC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C17H16N8O2S/c1-12-9-15(25(26)27)22-24(12)11-16-19-20-17(28-16)18-14-7-8-23(21-14)10-13-5-3-2-4-6-13/h2-9H,10-11H2,1H3,(H,18,20,21)